0 mol 59 unq 0 iso 0 dist 5.68841 7.7978 7.18948 3.60121 7.75769 9.55751 6.8958 10.121 7.17396 5.85228 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 7.75769 9.55751 7.18948 3.60121 5.68841 7.7978 5.85228 10.121 7.17396 6.8958 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 8.18252 4.50572 11.8887 4.24815 10.1506 5.9747 6.88489 12.9146 5.08437 4.75138 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 8.18252 4.50572 11.8887 4.24815 10.1506 5.9747 9.63267 17.6559 6.48948 10.4417 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 8.18252 4.50572 11.8887 4.24815 10.1506 5.9747 9.82583 14.9393 6.10456 11.3628 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.87592 4.98864 5.19652 5.11161 8.37388 7.95871 6.59772 8.97043 6.11741 4.86477 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 5.87592 4.98864 5.19652 5.11161 8.37388 7.95871 10.9437 12.9647 7.88312 12.0354 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 8.37388 7.95871 5.19652 5.11161 5.87592 4.98864 4.86477 8.97043 6.11741 6.59772 numMergedOcc 0
8 mol 115 unq 3 iso 0 dist 8.37388 7.95871 5.19652 5.11161 5.87592 4.98864 12.0354 12.9647 7.88312 10.9437 numMergedOcc 0
9 mol 180 unq 0 iso 0 dist 9.19555 5.80441 6.93557 12.986 15.8981 9.88732 9.82186 16.3276 9.62337 6.54937 numMergedOcc 0
10 mol 180 unq 1 iso 0 dist 9.19555 5.80441 6.93557 8.49238 11.2584 5.77949 9.82186 16.3276 9.62337 6.91082 numMergedOcc 0
11 mol 180 unq 2 iso 0 dist 9.19555 5.80441 6.93557 11.8501 12.4704 8.68403 9.82186 16.3276 9.62337 10.1423 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 7.71569 5.36829 5.68711 13.4632 14.1717 9.51764 11.7583 13.6328 9.65138 6.28065 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 7.71569 5.36829 5.68711 13.4632 14.1717 9.51764 4.98764 11.6154 7.14453 11.2159 numMergedOcc 0
14 mol 214 unq 2 iso 0 dist 7.71569 5.36829 5.68711 13.4632 14.1717 9.51764 12.3481 11.5105 8.85478 6.53326 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 8.52954 7.08539 12.2063 13.6805 20.9226 9.11256 7.38431 15.1022 5.4638 6.84447 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 5.83646 9.94315 10.1036 5.00891 9.69906 8.59074 12.521 13.6759 5.72887 9.18011 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 5.83646 9.94315 10.1036 10.4116 13.3899 6.2365 12.521 13.6759 5.72887 4.7157 numMergedOcc 0
18 mol 241 unq 0 iso 0 dist 7.30582 8.40773 9.64766 10.5872 16.3629 9.18476 6.72492 10.4415 7.4631 9.87799 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 8.11437 7.15815 7.07333 7.05365 11.624 5.89502 4.93871 10.7144 9.02271 9.25001 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 7.40069 7.53641 9.38462 10.0257 15.0526 9.20416 5.58251 10.7927 8.2734 5.26243 numMergedOcc 0
